Chemical Properties of 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl- (CAS 29597-36-2)

InChI

InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3

InChI Key

HZRFVTRTTXBHSE-UHFFFAOYSA-N

Formula

C15H24O

SMILES

CC1CCC2C(C)(C)C3CC12CC1OC13C

Molecular Weight¹

220.35

CAS

29597-36-2

Other Names

• «alpha»-Cedrene epoxide
• «alpha»-Cedrene oxide
• «alpha»-Cedren epoxide
• NSC 371728
• Cedrane, 8,9-epoxide
• octahydro-3,6,6,7a-tetramethyl-2H-2a,7-methanoazuleno[5,6-b]oxirene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	192.70	kJ/mol	Joback Calculated Property
ΔfH°gas	-209.03	kJ/mol	Joback Calculated Property
ΔfusH°	19.44	kJ/mol	Joback Calculated Property
ΔvapH°	48.77	kJ/mol	Joback Calculated Property
log10WS	-3.78		Crippen Calculated Property
logPoct/wat	3.626		Crippen Calculated Property
McVol	184.640	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1568.70; 1586.00]
Inp	1569.00		NIST
Inp	1568.70		NIST
Inp	1570.00		NIST
Inp	1585.00		NIST
Inp	1585.00		NIST
Inp	1586.00		NIST
Inp	1585.00		NIST
Inp	1585.00		NIST
Inp	1586.00		NIST
Inp	1586.00		NIST
Inp	1585.00		NIST
I	[1961.00; 2007.00]
I	2007.00		NIST
I	1978.00		NIST
I	1961.00		NIST
I	1961.00		NIST
I	2007.00		NIST
I	1961.00		NIST
I	1978.00		NIST
Tboil	583.22	K	Joback Calculated Property
Tc	812.69	K	Joback Calculated Property
Tfus	416.12	K	Joback Calculated Property
Vc	0.716	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[540.98; 661.33]	J/mol×K	[583.22; 812.69]
Cp,gas	540.98	J/mol×K	583.22	Joback Calculated Property
Cp,gas	563.50	J/mol×K	621.46	Joback Calculated Property
Cp,gas	584.43	J/mol×K	659.71	Joback Calculated Property
Cp,gas	604.21	J/mol×K	697.95	Joback Calculated Property
Cp,gas	623.32	J/mol×K	736.20	Joback Calculated Property
Cp,gas	642.20	J/mol×K	774.44	Joback Calculated Property
Cp,gas	661.33	J/mol×K	812.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-2a,7-Methanoazuleno[5,6-b]oxirene, octahydro-3,6,6,7a-tetramethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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